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Overview of Computational Nanoscience: a UC Berkeley Course

Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid

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Last 12 Months: updated 01 Oct, 2008
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Contributor(s) Elif Ertekin, Jeffrey C Grossman
University of California, Berkeley
Abstract

The purpose of this assignment is to perform a full molecular dynamics simulation based on the Verlet algorithm to calculate various properties of a simple liquid, modeled as an ensemble of identical classical particles interacting via the Lennard-Jones potential.

This assignment is to be completed following lectures 3 and 4 using the "Lennard-Jones Molecular Dynamics" program in the Berkeley Computational Nanoscience Toolkit.
Credits Nanoscale Science and Engineering C242/Physics C203
University of California, Berkeley
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  • Ertekin, Elif; Grossman, Jeffrey C (2008), "Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid," http://www.nanohub.org/resources/4052/.

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Date posted 15 Feb, 2008
Type Teaching Materials
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  • 9.6 Ranking Courses Part of: Overview of Computational Nanoscience: a UC Berkeley Course

    Overview of Computational Nanoscience: a UC Berkeley Course

    Type Courses
    Contributor(s) Jeffrey C Grossman, Elif Ertekin
    Date 01 Feb, 2008
    Avg. Rating 5.0 out of 5 stars  (4)
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    This course will provide students with the fundamentals of computational problem-solving techniques that are used to understand and predict properties of nanoscale systems. Emphasis will be placed on how to use simulations effectively, intelligently, and cohesively to predict properties that occur …

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